[gmx-users] mdrun error

Shima Arasteh shima_arasteh2001 at yahoo.com
Thu Aug 9 19:40:54 CEST 2012

Dear gmx users,

Would be this error (as you see here) a symptom of blowing up of a system? Or just .mdp options should be changed?

Fatal error:
1 of the 16625 bonded interactions could not be calculated because some atoms involved moved further apart than the multi-body cut-off distance (0.817695 nm) or the two-body cut-off distance (1 nm), see option -rdd, for pairs and tabulated bonds also see option -ddcheck
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

Thanks for your suggestions.


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